(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H12N2O3S3 MolecularWeight: 388.48378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C17H12N2O3S3/c20-16(10-24-17-18-12-4-1-2-5-14(12)25-17)21-9-11-8-13(22-19-11)15-6-3-7-23-15/h1-8H,9-10H2